novobiocin

Description

novobiocin · CAS 303-81-1 · C31H36N2O11. UNII 17EC19951N. Melting Point: 152-156 °C (decomposes); Solubility: 9.66e-03 g/L; Density: 1.3448 g/cu cm.

Identification

CAS Registry Number	303-81-1
PubChem CID	54675769
Molecular formula	C31H36N2O11
IUPAC name	[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
UNII (FDA)	17EC19951N

Computed Descriptors

Molecular Weight	612.6
XLogP3	3.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Exact Mass	612.23190997
Monoisotopic Mass	612.23190997
Topological Polar Surface Area	196
Heavy Atom Count	44
Formal Charge	0

Physical & Chemical Properties

Melting Point	152-156 °C (decomposes)
Solubility	9.66e-03 g/L
Density	1.3448 g/cu cm
LogP	4.1
LogP	1.33
Dissociation Constants	4.3

Physical description & handling notes

• Solid
• Pale yellow orthorhombic crystals from ethanol
• Insoluble
• Sol in aq soln above pH 7.5. Practically insol in more acidic solns. Sol in acetone, ethyl acetate, amyl acetate, lower alcohols, pyridine.
• Specific optical rotation at 24 °C for D (sodium) line = -63.0 deg (c = 1 in ethanol)
• pKa1 = 4.3 (coumarin hydroxyl)

Regulatory Status

Regulatory & Food Contact	ANTIMICROBIAL_AGENT: Veterinary Drug NMRS 45/TRS 430-JECFA 12/43

GHS Hazard Classification

Reported hazard statements	H302 (100%), H317 (100%)

Documented Uses

• Mesh Heading: anti-bacterial agents, enzyme inhibitors
• Medicinal feed additive for chicken and turkey
• Novobiocin is a narrow-spectrum antibiotic that may be bacteriostatic or bactericidal at higher concentrations. It is active mostly against gram-positive bacteria but also against a few gram-negative bacteria. ... Its main use is in combination with other agents for the treatment of bovine mastitis.
• Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
• Veterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes
• Pharmaceuticals -> Animal Drugs -> Approved in Taiwan

Synonyms

novobiocin; 303-81-1; Streptonivicin; Cardelmycin; Inamycin; Spheromycin; Novobiocina; Novobiocine; Crystallinic acid; Cathocin; Novobiocinum; PA 93; 17EC19951N; DTXSID3041083; CHEBI:28368; NSC2382

Frequently Asked Questions

What are the CAS number and molecular formula of novobiocin?

CAS 303-81-1; molecular formula C31H36N2O11; molecular weight — g/mol.

What other names is novobiocin known by?

novobiocin, 303-81-1, Streptonivicin, Cardelmycin, Inamycin, Spheromycin.

What is the regulatory status of novobiocin?

Documented regulatory listings: ANTIMICROBIAL_AGENT: Veterinary Drug; NMRS 45/TRS 430-JECFA 12/43.

Is novobiocin classified as hazardous?

Hazard statements reported: H302, H317.

What are the key physical properties of novobiocin?

Melting Point: 152-156 °C (decomposes); Solubility: 9.66e-03 g/L; Density: 1.3448 g/cu cm; LogP: 4.1.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.